octa-1,3-diene-3,5-diol

C8H14O2 — CID 140987996

IUPACocta-1,3-diene-3,5-diol
SMILESC=CC(O)=CC(O)CCC
InChIInChI=1S/C8H14O2/c1-3-5-8(10)6-7(9)4-2/h4,6,8-10H,2-3,5H2,1H3
InChIKeyIFENOLNHOFMBPR-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.78
Rot. Bonds4

About octa-1,3-diene-3,5-diol

octa-1,3-diene-3,5-diol (PubChem CID 140987996) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is octa-1,3-diene-3,5-diol.

Molecular Properties

Compound Nameocta-1,3-diene-3,5-diol
PubChem CID140987996
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Nameocta-1,3-diene-3,5-diol
SMILESC=CC(O)=CC(O)CCC
InChIInChI=1S/C8H14O2/c1-3-5-8(10)6-7(9)4-2/h4,6,8-10H,2-3,5H2,1H3
InChIKeyIFENOLNHOFMBPR-UHFFFAOYSA-N
XLogP1.78
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-hydroxypentanethial
CID 54438498
octa-1,3-diene-2,5-diol
CID 141007502
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CID 170250028
(3Z)-hepta-1,3-dien-3-ol
CID 102117961
butane-1,1-diol;mercury(1+);prop-2-enoate
CID 174882415
(E)-1-trimethylsilyl-1-tri(propan-2-yl)silylhex-1-en-3-ol
CID 15750618
benzene;N-(1-hydroxybutyl)prop-2-enamide;phenol
CID 174886545
(2R,3S)-3-hydroxy-2-propylpent-4-enoic acid
CID 135047760
tetrakis(pentane-1,1-diol);bis(prop-2-enoic acid)
CID 175987497
hex-1-ene-2,3-diol
CID 87891998
6-methylnon-1-en-3-one
CID 173408928
(E)-3-ethenylsulfanylhex-2-en-2-ol
CID 143844494

Frequently Asked Questions

What is the IUPAC name of octa-1,3-diene-3,5-diol?
The IUPAC name of octa-1,3-diene-3,5-diol (CID 140987996) is octa-1,3-diene-3,5-diol.
What is the SMILES notation for octa-1,3-diene-3,5-diol?
The canonical SMILES for octa-1,3-diene-3,5-diol is C=CC(O)=CC(O)CCC.
What is the InChIKey of octa-1,3-diene-3,5-diol?
The InChIKey is IFENOLNHOFMBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-5-8(10)6-7(9)4-2/h4,6,8-10H,2-3,5H2,1H3.
What are the key properties of octa-1,3-diene-3,5-diol?
octa-1,3-diene-3,5-diol has a molecular weight of 142.20 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octa-1,3-diene-3,5-diol is sourced from PubChem (CID 140987996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).